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ORCIDSzilárd Páll
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2020 – today
- 2024
[i5]Andrey Alekseenko, Szilárd Páll, Erik Lindahl:
GROMACS on AMD GPU-Based HPC Platforms: Using SYCL for Performance and Portability. CoRR abs/2405.01420 (2024)- 2023
- [c6]Andrey Alekseenko
, Szilárd Páll:
Comparing the Performance of SYCL Runtimes for Molecular Dynamics Applications. IWOCL 2023: 6:1-6:2 - [c5]Niclas Jansson, Martin Karp, Adalberto Perez, Timofey Mukha, Yi Ju, Jiahui Liu, Szilárd Páll, Erwin Laure, Tino Weinkauf, Jörg Schumacher, Philipp Schlatter, Stefano Markidis:
Exploring the Ultimate Regime of Turbulent Rayleigh-Bénard Convection Through Unprecedented Spectral-Element Simulations. SC 2023: 5:1-5:9 - 2021
- [c4]Andrey Alekseenko, Szilárd Páll, Erik Lindahl:
Experiences With Adding SYCL Support to GROMACS. IWOCL 2021: 17:1 - 2020
- [i4]Szilárd Páll, Artem A. Zhmurov, Paul Bauer, Mark James Abraham, Magnus Lundborg, Alan Gray, Berk Hess, Erik Lindahl:
Heterogeneous Parallelization and Acceleration of Molecular Dynamics Simulations in GROMACS. CoRR abs/2006.09167 (2020)
2010 – 2019
- 2019
- [j4]Carsten Kutzner, Szilárd Páll, Martin Fechner, Ansgar Esztermann, Bert L. de Groot, Helmut Grubmüller:
More bang for your buck: Improved use of GPU nodes for GROMACS 2018. J. Comput. Chem. 40(27): 2418-2431 (2019) - [c3]Szilárd Páll, Roland Schulz:
Advances in the OpenCL offload support in GROMACS. IWOCL 2019: 7:1 - [i3]Carsten Kutzner, Szilárd Páll, Martin Fechner, Ansgar Esztermann, Bert L. de Groot, Helmut Grubmüller:
More Bang for Your Buck: Improved use of GPU Nodes for GROMACS 2018. CoRR abs/1903.05918 (2019) - 2015
- [j3]Carsten Kutzner, Szilárd Páll, Martin Fechner, Ansgar Esztermann, Bert L. de Groot, Helmut Grubmüller:
Best bang for your buck: GPU nodes for GROMACS biomolecular simulations. J. Comput. Chem. 36(26): 1990-2008 (2015) - [i2]Szilárd Páll, Mark James Abraham, Carsten Kutzner, Berk Hess, Erik Lindahl:
Tackling Exascale Software Challenges in Molecular Dynamics Simulations with GROMACS. CoRR abs/1506.00716 (2015) - [i1]Carsten Kutzner, Szilárd Páll, Martin Fechner, Ansgar Esztermann, Bert L. de Groot, Helmut Grubmüller:
Best bang for your buck: GPU nodes for GROMACS biomolecular simulations. CoRR abs/1507.00898 (2015) - 2014
- [c2]Szilárd Páll, Mark James Abraham, Carsten Kutzner, Berk Hess, Erik Lindahl:
Tackling Exascale Software Challenges in Molecular Dynamics Simulations with GROMACS. EASC 2014: 3-27 - 2013
- [j2]Sander Pronk, Szilárd Páll, Roland Schulz, Per Larsson, Pär Bjelkmar, Rossen Apostolov, Michael R. Shirts, Jeremy C. Smith, Peter M. Kasson, David van der Spoel, Berk Hess, Erik Lindahl:
GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit. Bioinform. 29(7): 845-854 (2013) - [j1]Szilárd Páll, Berk Hess:
A flexible algorithm for calculating pair interactions on SIMD architectures. Comput. Phys. Commun. 184(12): 2641-2650 (2013) - 2011
- [c1]Szilárd Páll, Berk Hess, Erik Lindahl:
Poster: 3D tixels: a highly efficient algorithm for gpu/cpu-acceleration of molecular dynamics on heterogeneous parallel architectures. SC Companion 2011: 71-72
2000 – 2009
- 2009
- [p1]Wolfgang Schreiner, Károly Bósa, Andreas Langegger, Thomas Leitner, Bernhard Moser, Szilárd Páll, Volkmar Wieser, Wolfram Wöß:
Parallel, Distributed, and Grid Computing. Hagenberg Research 2009: 333-378
Coauthor Index
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